5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole

C55H32N4OS — CID 166699331

IUPAC5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C55H32N4OS/c1-2-14-33(15-3-1)34-18-12-19-37(30-34)53-56-54(58-55(57-53)43-24-13-23-40-39-21-8-11-27-49(39)61-52(40)43)42-28-29-46(50-41-22-7-10-26-48(41)60-51(42)50)59-45-25-9-6-20-38(45)44-31-35-16-4-5-17-36(35)32-47(44)59/h1-32H
InChIKeyIYSHKNBZGXNASB-UHFFFAOYSA-N
MW796.96 g/mol
LogP15.06
Rot. Bonds5

About 5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole

5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (PubChem CID 166699331) has the molecular formula C55H32N4OS and a molecular weight of 796.96 g/mol. Its IUPAC name is 5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
PubChem CID166699331
Molecular FormulaC55H32N4OS
Molecular Weight796.96 g/mol
Exact Mass796.23
IUPAC Name5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1
InChIInChI=1S/C55H32N4OS/c1-2-14-33(15-3-1)34-18-12-19-37(30-34)53-56-54(58-55(57-53)43-24-13-23-40-39-21-8-11-27-49(39)61-52(40)43)42-28-29-46(50-41-22-7-10-26-48(41)60-51(42)50)59-45-25-9-6-20-38(45)44-31-35-16-4-5-17-36(35)32-47(44)59/h1-32H
InChIKeyIYSHKNBZGXNASB-UHFFFAOYSA-N
XLogP15.06
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500796.96
LogP ≤ 515.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[11-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-6-yl]benzo[b]carbazole
CID 164715024
5-[2-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621131
5-[3-(4-carbazol-9-yl-6-dibenzothiophen-4-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167347710
5-[3-(4-dibenzothiophen-4-yl-6-naphthalen-1-yl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]benzo[b]carbazole
CID 167348034
5-[2-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]benzo[b]carbazole
CID 155043007
5-[4-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699258
5-[4-(4-dibenzofuran-1-yl-6-dibenzothiophen-1-yl-1,3,5-triazin-2-yl)naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347963
5-[4-[4,6-di(dibenzofuran-1-yl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole
CID 166699659
5-[4-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-1-yl]benzo[b]carbazole
CID 146621069
5-[2-dibenzothiophen-4-yl-4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 155475141
5-[3-[4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphtho[2,3-b][1]benzofuran-1-yl]benzo[b]carbazole
CID 167347413
12-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 155042959

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The IUPAC name of 5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole (CID 166699331) is 5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The canonical SMILES for 5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is c1ccc(-c2cccc(-c3nc(-c4ccc(-n5c6ccccc6c6cc7ccccc7cc65)c5c4oc4ccccc45)nc(-c4cccc5c4sc4ccccc45)n3)c2)cc1.
What is the InChIKey of 5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
The InChIKey is IYSHKNBZGXNASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H32N4OS/c1-2-14-33(15-3-1)34-18-12-19-37(30-34)53-56-54(58-55(57-53)43-24-13-23-40-39-21-8-11-27-49(39)61-52(40)43)42-28-29-46(50-41-22-7-10-26-48(41)60-51(42)50)59-45-25-9-6-20-38(45)44-31-35-16-4-5-17-36(35)32-47(44)59/h1-32H.
What are the key properties of 5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole?
5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole has a molecular weight of 796.96 g/mol, XLogP of 15.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-dibenzothiophen-4-yl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]benzo[b]carbazole is sourced from PubChem (CID 166699331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).